Geometry & MOs

Info

ID:	342760
PubChem CID:	127265923
Reduced:	ClON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	76.79
Dipole, Da:	4.38
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(6-ethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1N(CC2=CN=CC=C2)C(=O)C3=NC(=NC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations